3-[[2-[1-[4-(2-azanylethyl)-2-(3-fluoranyl-4-methyl-phenyl)imidazol-1-yl]-2-methyl-propyl]-7-chloranyl-4-oxidanylidene-chromen-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-[1-[4-(2-azanylethyl)-2-(3-fluoranyl-4-methyl-phenyl)imidazol-1-yl]-2-methyl-propyl]-7-chloranyl-4-oxidanylidene-chromen-3-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-[1-[4-(2-aminoethyl)-2-(3-fluoro-4-methyl-phenyl)imidazol-1-yl]-2-methyl-propyl]-7-chloro-4-oxo-chromen-3-yl]methyl]benzonitrile CAS Name: 3-[[2-[1-[4-(2-aminoethyl)-2-(3-fluoro-4-methylphenyl)-1-imidazolyl]-2-methylpropyl]-7-chloro-4-oxo-1-benzopyran-3-yl]methyl]benzonitrile IUPAC Name: 3-[[2-[1-[4-(2-aminoethyl)-2-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-methylpropyl]-7-chloro-4-oxochromen-3-yl]methyl]benzonitrile Traditional Name: 3-[[2-[1-[4-(2-aminoethyl)-2-(3-fluoro-4-methyl-phenyl)imidazol-1-yl]-2-methyl-propyl]-7-chloro-4-keto-chromen-3-yl]methyl]benzonitrile Formula: C33H30ClFN4O2 MolecularWeight: 569.068303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=CN2C(C3=C(C(=O)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC(=C5)C#N)C(C)C)CCN)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=CN2C(C3=C(C(=O)C4=C(O3)C=C(C=C4)Cl)CC5=CC=CC(=C5)C#N)C(C)C)CCN)F

InChI

InChI=1S/C33H30ClFN4O2/c1-19(2)30(39-18-25(11-12-36)38-33(39)23-8-7-20(3)28(35)15-23)32-27(14-21-5-4-6-22(13-21)17-37)31(40)26-10-9-24(34)16-29(26)41-32/h4-10,13,15-16,18-19,30H,11-12,14,36H2,1-3H3